Cas no 817-88-9 (3,7-Nonadien-2-one,4,8-dimethyl-)
817-88-9 structure
Product Name:3,7-Nonadien-2-one,4,8-dimethyl-
3,7-Nonadien-2-one,4,8-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 3,7-Nonadien-2-one,4,8-dimethyl-
- (E)&(Z)-4,8-DIMETHYL-3,7-NONADIEN-2-ONE
- 3,7-Nonadien-2-one,4,8-diMethyl
- 4,8-dimethyl-3,7-nonadien-2-one
- 4,8-Dimethyl-nona-3,7-dien-2-on
- 4,8-dimethylnona-3,7-dien-2-one
- methyl-citral
-
- Inchi： 1S/C11H18O/c1-9(2)6-5-7-10(3)8-11(4)12/h6,8H,5,7H2,1-4H3
- InChI Key： QAFYGHBGWCPRCI-UHFFFAOYSA-N
- SMILES： O=C(C)C=C(C)CC/C=C(\C)/C
Computed Properties
- Exact Mass: 166.13600
- Monoisotopic Mass: 166.135765193g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 205
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 3.3
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- Density: 0.856
- Boiling Point: 250.5 °C at 760 mmHg
- Flash Point: 102.4 °C
- PSA: 17.07000
- LogP: 3.26810
- FEMA: 3969 | (E) & (Z)-4,8-DIMETHYL-3,7-NONADIEN-2-ONE
3,7-Nonadien-2-one,4,8-dimethyl- Related Literature
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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